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	hartrees
Energy at 0K	-192.170992
Energy at 298.15K	-192.172250
HF Energy	-191.519882
Nuclear repulsion energy	121.485723

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3177	3007	0.00
2	A₁	1975	1869	0.00
3	A₁	1483	1404	0.00
4	A₁	757	717	0.00
5	B₁	699	661	0.00
6	B₂	3177	3007	3.48
7	B₂	2259	2139	47.85
8	B₂	1552	1469	1.04
9	B₂	1349	1277	2.58
10	E	3257	3083	2.91
10	E	3257	3083	2.91
11	E	1042	986	0.03
11	E	1042	986	0.03
12	E	876	829	54.58
12	E	876	829	54.58
13	E	435	412	0.00
13	E	435	412	0.00
14	E	311	295	0.25
14	E	311	295	0.25
15	E	155	146	2.94
15	E	155	146	2.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.285
C3	0.000	0.000	-1.285
C4	0.000	0.000	2.603
C5	0.000	0.000	-2.603
H6	0.000	0.929	3.171
H7	0.000	-0.929	3.171
H8	0.929	0.000	-3.171
H9	-0.929	0.000	-3.171

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2846	1.2846	2.6030	2.6030	3.3038	3.3038	3.3038	3.3038
C2	1.2846		2.5691	1.3184	3.8876	2.1023	2.1023	4.5509	4.5509
C3	1.2846	2.5691		3.8876	1.3184	4.5509	4.5509	2.1023	2.1023
C4	2.6030	1.3184	3.8876		5.2060	1.0883	1.0883	5.8478	5.8478
C5	2.6030	3.8876	1.3184	5.2060		5.8478	5.8478	1.0883	1.0883
H6	3.3038	2.1023	4.5509	1.0883	5.8478		1.8571	6.4758	6.4758
H7	3.3038	2.1023	4.5509	1.0883	5.8478	1.8571		6.4758	6.4758
H8	3.3038	4.5509	2.1023	5.8478	1.0883	6.4758	6.4758		1.8571
H9	3.3038	4.5509	2.1023	5.8478	1.0883	6.4758	6.4758	1.8571

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	C5	180.000
C2	C1	C3	180.000	C2	C4	H6	121.438
C2	C4	H7	121.438	C3	C5	H8	121.438
C3	C5	H9	121.438	H6	C4	H7	117.123
H8	C5	H9	117.123

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CCD/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: CCD/6-31G*

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)